SCHEMBL5339242

SCHEMBL5339242

CC(C)(C)NC(=O)c1cccn2cc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
KDM4E B2RXH2 7/20 0.56
PKM P14618 1/20 0.56
DHODH Q02127 1/20 0.55
ALDH1A3 P47895 3/20 0.51
ALDH1A2 O94788 2/20 0.51
HPGD P15428 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TMIGD3 P0DMS9 1/20 0.46
CNR1 P21554 1/20 0.45
NR4A2 P43354 2/20 0.44
GAA P10253 2/20 0.43
NFKB1 P19838 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5333968 0.82 DHODH (0.79) ALDH1A1NPC1RAB9AKDM4EPKM
SCHEMBL5344215 0.77 DHODH (0.56) ALDH1A1NPC1RAB9AKDM4EPKM
SCHEMBL5338077 0.76 HTR4 (0.52) ALDH1A1NPC1RAB9AKDM4EPKM
SCHEMBL5335420 0.75 NR4A2 (0.57) ALDH1A1NPC1RAB9AKDM4EPKM
SCHEMBL5335058 0.74 DHODH (0.65) ALDH1A1NPC1RAB9AKDM4EPKM
SCHEMBL28851904 0.73 RAB9A (1.00) ALDH1A1NPC1RAB9AKDM4EPKM
SCHEMBL18038115 0.73 DHODH (0.50) ALDH1A1NPC1RAB9AKDM4EPKM
SCHEMBL18038320 0.72 DHODH (0.59) ALDH1A1NPC1RAB9AKDM4EPKM
SCHEMBL5340752 0.72 CNR1 (0.53) CNR1
SCHEMBL12753158 0.72 DHODH (0.69) ALDH1A1NPC1RAB9AKDM4EDHODH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO claimed
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed